General Information of the Compound
| Compound ID |
CP0006523
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| Compound Name |
3-hex-1-ynyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
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| Structure |
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| Formula |
C16H22N2O
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| Molecular Weight |
258.365
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| Canonical SMILES |
CCCCC#Cc1cncc(OC[C@@H]2CCCN2)c1
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| InChI |
InChI=1S/C16H22N2O/c1-2-3-4-5-7-14-10-16(12-17-11-14)19-13-15-8-6-9-18-15/h10-12,15,18H,2-4,6,8-9,13H2,1H3/t15-/m0/s1
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| InChIKey |
DORKRVDXEQSBGX-HNNXBMFYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound